3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5-hydroxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5-hydroxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5-hydroxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(carboxymethyloxy)-4-methoxy-benzyl]-5-hydroxy-indole-2-carboxylic acid Formula: C26H21NO9 MolecularWeight: 491.44624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5)OCC(=O)O

InChI

InChI=1S/C26H21NO9/c1-33-17-5-2-15(21(10-17)34-12-23(29)30)11-27-19-6-4-16(28)9-18(19)24(25(27)26(31)32)14-3-7-20-22(8-14)36-13-35-20/h2-10,28H,11-13H2,1H3,(H,29,30)(H,31,32)